 Entering Gaussian System, Link 0=g09
 Input=/home/long/gaussian/Cu_coord output1/plusglu/ligand_bound/newligand/Energy Calculations/crystal_high_Zn_re_ligand_colIII_flipped__nometal_energy.com
 Output=/home/long/gaussian/Cu_coord output1/plusglu/ligand_bound/newligand/Energy Calculations/crystal_high_Zn_re_ligand_colIII_flipped__nometal_energy.log
 Initial command:
 /home/long/gaussian/g09/l1.exe "/home/long/gaussian/Gau-6710.inp" -scrdir="/home/long/gaussian/"
 Entering Link 1 = /home/long/gaussian/g09/l1.exe PID=      6713.
  
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 This is part of the Gaussian(R) 09 program.  It is based on
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 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
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 Cite this work as:
 Gaussian 09, Revision D.01,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, 
 G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, 
 A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, 
 M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, 
 Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., 
 J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, 
 K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, 
 M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, 
 V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, 
 O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, 
 R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, 
 P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, 
 O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, 
 and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.
 
 ******************************************
 Gaussian 09:  ES64L-G09RevD.01 24-Apr-2013
                25-Jun-2020 
 ******************************************
 %mem=6GB
 %chk=crystal_high_Zn_re_ligand_colIII_flipped__nometal_energy.chk
 --------------------------------------------
 # b3pw91/6-311++g(3df,3pd) geom=connectivity
 --------------------------------------------
 1/38=1,57=2/1;
 2/12=2,17=6,18=5,40=1/2;
 3/5=4,6=6,7=1616,11=2,16=1,25=1,30=1,74=-6/1,2,3;
 4//1;
 5/5=2,38=5/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 99/5=1,9=1/99;
 ----
 5h8x
 ----
 Symbolic Z-matrix:
 Charge = -1 Multiplicity = 1
 C                    -1   -4.07168  -2.53999  -3.55948 
 C                    0    -3.32981  -1.18152  -3.65347 
 C                    0    -2.0823   -1.11121  -2.81679 
 C                    0    -1.69676  -0.25656  -1.79477 
 N                    0    -1.00683  -2.00124  -2.97021 
 C                    0    -0.02947  -1.66855  -2.06463 
 N                    0    -0.41583  -0.61218  -1.33444 
 C                    -1   -5.23028  -0.89873  -0.14672 
 C                    0    -5.86722   0.17244   0.76564 
 C                    0    -5.23968   1.57553   0.57734 
 C                    0    -3.75742   1.57389   0.94266 
 O                    0    -3.36282   1.07658   2.04969 
 O                    0    -2.90996   2.07241   0.03832 
 C                    -1   -2.26739  -4.23783   2.98316 
 C                    0    -0.99439  -3.84055   3.75955 
 C                    0    -0.19276  -2.76414   3.07583 
 C                    0    -0.32116  -2.12247   1.85343 
 N                    0     0.93169  -2.16832   3.67306 
 C                    0     1.43058  -1.20837   2.82719 
 N                    0     0.69177  -1.15846   1.71038 
 C                    -1    4.68598  -4.0033   -1.4882 
 C                    0     5.1608   -2.62495  -1.99749 
 C                    0     4.19242  -1.52559  -1.65211 
 C                    0     3.2028   -1.43262  -0.68383 
 N                    0     4.13439  -0.30159  -2.33773 
 C                    0     3.13526   0.46932  -1.78774 
 N                    0     2.55445  -0.19395  -0.78233 
 H                    0    -4.98526  -2.5156   -4.16489 
 H                    0    -4.35355  -2.76037  -2.52394 
 H                    0    -3.45492  -3.37039  -3.93048 
 H                    0    -3.99786  -0.37855  -3.32404 
 H                    0    -3.08878  -0.97214  -4.70666 
 H                    0    -2.24861   0.56504  -1.36073 
 H                    0    -0.96669  -2.76685  -3.63025 
 H                    0     0.90825  -2.1914   -1.97392 
 H                    0    -4.16013  -1.01049   0.06909 
 H                    0    -5.3413   -0.62646  -1.2061 
 H                    0    -5.71118  -1.87496   0.00251 
 H                    0    -6.94597   0.23465   0.56341 
 H                    0    -5.74582  -0.12133   1.81552 
 H                    0    -5.3528    1.92537  -0.4552 
 H                    0    -5.75384   2.29056   1.23527 
 H                    0    -2.9366   -3.37849   2.85824 
 H                    0    -2.8132   -5.01693   3.52671 
 H                    0    -2.02084  -4.63197   1.9892 
 H                    0    -1.28208  -3.49284   4.76313 
 H                    0    -0.36554  -4.73193   3.90707 
 H                    0    -1.07473  -2.26032   1.09649 
 H                    0     1.29551  -2.39181   4.59079 
 H                    0     2.26583  -0.56268   3.04207 
 H                    0     4.57996  -4.0092   -0.39659 
 H                    0     3.7202   -4.27751  -1.92944 
 H                    0     5.41368  -4.77823  -1.75361 
 H                    0     5.29646  -2.66712  -3.0882 
 H                    0     6.14998  -2.40233  -1.57091 
 H                    0     2.91546  -2.15579   0.06125 
 H                    0     4.72165  -0.03675  -3.11856 
 H                    0     2.84433   1.44995  -2.1269 
 O                    0    -0.79237   1.39341   1.07002 
 H                    0    -1.22754   1.05551   1.88636 
 H                    0    -1.65771   1.78391   0.51807 
 C                    0     2.98275   2.51787   1.5799 
 O                    0     2.28272   1.46794   1.70419 
 N                    0     2.44038   3.71063   1.18986 
 C                    0     1.00344   3.90008   0.97619 
 C                    0     0.52521   3.44035  -0.40889 
 O                    0     0.98945   2.36982  -0.92679 
 N                    0    -0.44869   4.17781  -0.9825 
 H                    0     0.45005   3.26418   1.67914 
 H                    0     0.75047   4.94894   1.1639 
 H                    0     3.05554   4.50557   1.06494 
 H                    0    -0.80406   4.98166  -0.47496 
 C                    0    -1.21373   3.74757  -2.16913 
 H                    0    -1.37167   4.60159  -2.83576 
 H                    0    -0.64151   2.97842  -2.69171 
 H                    0    -2.1737    3.32858  -1.84519 
 C                    0     4.46995   2.51088   1.88428 
 H                    0     4.61641   2.32745   2.95534 
 H                    0     4.94282   1.68647   1.34117 
 H                    0     4.96965   3.44888   1.62136 
 
 Stoichiometry    C24H43N8O5(1-)
 Framework group  C1[X(C24H43N8O5)]
 Deg. of freedom   234
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -3.950607   -2.513176   -3.570525
      2          6           0       -3.222459   -1.146472   -3.651516
      3          6           0       -1.979179   -1.069437   -2.809155
      4          6           0       -1.606682   -0.218370   -1.779338
      5          7           0       -0.893935   -1.947180   -2.964574
      6          6           0        0.076218   -1.611074   -2.052529
      7          7           0       -0.324036   -0.564121   -1.316280
      8          6           0       -5.140087   -0.909026   -0.150755
      9          6           0       -5.791802    0.148794    0.766730
     10          6           0       -5.178048    1.559634    0.591277
     11          6           0       -3.697360    1.570606    0.962755
     12          8           0       -3.302173    1.069287    2.067767
     13          8           0       -2.851402    2.084462    0.065609
     14          6           0       -2.155639   -4.240237    2.967027
     15          6           0       -0.890012   -3.835555    3.751586
     16          6           0       -0.096769   -2.745944    3.079077
     17          6           0       -0.226793   -2.096692    1.860863
     18          7           0        1.019004   -2.142952    3.685319
     19          6           0        1.511390   -1.171729    2.848560
     20          7           0        0.776684   -1.121256    1.729068
     21          6           0        4.813169   -3.901215   -1.473486
     22          6           0        5.275788   -2.514339   -1.970734
     23          6           0        4.294679   -1.427587   -1.621383
     24          6           0        3.300197   -1.351940   -0.656583
     25          7           0        4.226792   -0.199264   -2.298302
     26          6           0        3.217503    0.557245   -1.746874
     27          7           0        2.639475   -0.119334   -0.748754
     28          1           0       -4.861913   -2.493780   -4.179546
     29          1           0       -4.234418   -2.744045   -2.537808
     30          1           0       -3.323777   -3.334431   -3.944996
     31          1           0       -3.900123   -0.352875   -3.319035
     32          1           0       -2.979294   -0.926908   -4.702139
     33          1           0       -2.168777    0.594288   -1.341627
     34          1           0       -0.843174   -2.707466   -3.630008
     35          1           0        1.018915   -2.124867   -1.961721
     36          1           0       -4.069730   -1.011318    0.068691
     37          1           0       -5.249582   -0.630154   -1.208569
     38          1           0       -5.611465   -1.891228   -0.010652
     39          1           0       -6.870299    0.201357    0.560461
     40          1           0       -5.671666   -0.151392    1.814936
     41          1           0       -5.290557    1.915845   -0.439146
     42          1           0       -5.702266    2.264479    1.252253
     43          1           0       -2.833190   -3.386959    2.845583
     44          1           0       -2.695576   -5.028890    3.502598
     45          1           0       -1.900959   -4.624521    1.971258
     46          1           0       -1.185382   -3.498197    4.756471
     47          1           0       -0.252582   -4.721457    3.895225
     48          1           0       -0.975794   -2.236747    1.099809
     49          1           0        1.381362   -2.369397    4.602911
     50          1           0        2.339035   -0.519047    3.071616
     51          1           0        4.702748   -3.916208   -0.382401
     52          1           0        3.852096   -4.182134   -1.920738
     53          1           0        5.549931   -4.666631   -1.741506
     54          1           0        5.416337   -2.547116   -3.061140
     55          1           0        6.260858   -2.284661   -1.538417
     56          1           0        3.017307   -2.083482    0.082000
     57          1           0        4.814474    0.077336   -3.074722
     58          1           0        2.917831    1.537279   -2.080089
     59          8           0       -0.731144    1.419793    1.101149
     60          1           0       -1.166128    1.071447    1.913184
     61          1           0       -1.598214    1.805383    0.548460
     62          6           0        3.030024    2.579372    1.634938
     63          8           0        2.340389    1.521384    1.748656
     64          7           0        2.476942    3.769293    1.251351
     65          6           0        1.039006    3.945470    1.033074
     66          6           0        0.571227    3.491003   -0.357295
     67          8           0        1.048630    2.429150   -0.881049
     68          7           0       -0.407895    4.222564   -0.929565
     69          1           0        0.489345    3.298762    1.729060
     70          1           0        0.774431    4.990264    1.227370
     71          1           0        3.084345    4.571434    1.134796
     72          1           0       -0.773635    5.018960   -0.417668
     73          6           0       -1.163578    3.793164   -2.122478
     74          1           0       -1.327619    4.650377   -2.783519
     75          1           0       -0.581295    3.033808   -2.648267
     76          1           0       -2.120481    3.361930   -1.805607
     77          6           0        4.515950    2.585484    1.945461
     78          1           0        4.659915    2.395730    3.015757
     79          1           0        4.999546    1.770009    1.398330
     80          1           0        5.006995    3.530496    1.691469
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0971194      0.0731643      0.0664098
 Standard basis: 6-311++G(3df,3pd) (5D, 7F)
 There are  2482 symmetry adapted cartesian basis functions of A   symmetry.
 There are  2217 symmetry adapted basis functions of A   symmetry.
  2217 basis functions,  3049 primitive gaussians,  2482 cartesian basis functions
   142 alpha electrons      142 beta electrons
       nuclear repulsion energy      4436.8313484048 Hartrees.
 NAtoms=   80 NActive=   80 NUniq=   80 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  2217 RedAO= T EigKep=  1.11D-06  NBF=  2217
 NBsUse=  2214 1.00D-06 EigRej=  4.30D-07 NBFU=  2214
 ExpMin= 3.60D-02 ExpMax= 8.59D+03 ExpMxC= 1.30D+03 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  408 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  408 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Restarting incremental Fock formation.
 SCF Done:  E(RB3PW91) =  -1754.53131473     A.U. after   21 cycles
            NFock= 21  Conv=0.18D-08     -V/T= 2.0058

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.94451 -18.93276 -18.91581 -18.91100 -18.84535
 Alpha  occ. eigenvalues --  -14.24927 -14.23476 -14.23440 -14.22454 -14.21424
 Alpha  occ. eigenvalues --  -14.15135 -14.14005 -14.13925 -10.14071 -10.12685
 Alpha  occ. eigenvalues --  -10.10620 -10.09350 -10.08669 -10.08651 -10.08136
 Alpha  occ. eigenvalues --  -10.07941 -10.07724 -10.07644 -10.07471 -10.07388
 Alpha  occ. eigenvalues --  -10.07107 -10.06816 -10.06778 -10.06717 -10.06662
 Alpha  occ. eigenvalues --  -10.06141 -10.05303 -10.04366 -10.03871 -10.03466
 Alpha  occ. eigenvalues --  -10.03288 -10.02998  -0.89125  -0.88854  -0.87458
 Alpha  occ. eigenvalues --   -0.87396  -0.87364  -0.86807  -0.80143  -0.79085
 Alpha  occ. eigenvalues --   -0.78046  -0.74024  -0.72670  -0.72493  -0.72311
 Alpha  occ. eigenvalues --   -0.70571  -0.68873  -0.68628  -0.66716  -0.65252
 Alpha  occ. eigenvalues --   -0.61822  -0.61365  -0.60604  -0.60337  -0.57623
 Alpha  occ. eigenvalues --   -0.56675  -0.55028  -0.53396  -0.53219  -0.49423
 Alpha  occ. eigenvalues --   -0.48204  -0.48042  -0.47845  -0.47804  -0.46768
 Alpha  occ. eigenvalues --   -0.46317  -0.45445  -0.45240  -0.42221  -0.40906
 Alpha  occ. eigenvalues --   -0.40803  -0.40755  -0.38050  -0.37737  -0.37731
 Alpha  occ. eigenvalues --   -0.36129  -0.35791  -0.35678  -0.35237  -0.34212
 Alpha  occ. eigenvalues --   -0.33963  -0.33682  -0.33597  -0.33303  -0.33155
 Alpha  occ. eigenvalues --   -0.32642  -0.32349  -0.31389  -0.31134  -0.30870
 Alpha  occ. eigenvalues --   -0.30326  -0.30103  -0.29804  -0.29609  -0.28891
 Alpha  occ. eigenvalues --   -0.28733  -0.28557  -0.28240  -0.27983  -0.27882
 Alpha  occ. eigenvalues --   -0.27434  -0.27386  -0.27327  -0.27164  -0.27072
 Alpha  occ. eigenvalues --   -0.26666  -0.26418  -0.26397  -0.26093  -0.25772
 Alpha  occ. eigenvalues --   -0.25737  -0.25536  -0.24318  -0.23232  -0.22827
 Alpha  occ. eigenvalues --   -0.22668  -0.21692  -0.20680  -0.20177  -0.16622
 Alpha  occ. eigenvalues --   -0.16012  -0.14904  -0.14393  -0.14222  -0.12935
 Alpha  occ. eigenvalues --   -0.12475  -0.12238  -0.11390  -0.10951  -0.10916
 Alpha  occ. eigenvalues --   -0.10393  -0.10135  -0.09821  -0.09574  -0.08828
 Alpha  occ. eigenvalues --   -0.06329  -0.05260
 Alpha virt. eigenvalues --    0.06115   0.06921   0.07039   0.07301   0.07729
 Alpha virt. eigenvalues --    0.08252   0.08509   0.08563   0.09269   0.09447
 Alpha virt. eigenvalues --    0.09548   0.09739   0.10086   0.10543   0.10711
 Alpha virt. eigenvalues --    0.11022   0.11152   0.11728   0.11827   0.11959
 Alpha virt. eigenvalues --    0.12307   0.12545   0.12753   0.12931   0.13096
 Alpha virt. eigenvalues --    0.13276   0.13445   0.13675   0.13887   0.14155
 Alpha virt. eigenvalues --    0.14251   0.14557   0.14663   0.14774   0.14962
 Alpha virt. eigenvalues --    0.15155   0.15348   0.15686   0.15960   0.16121
 Alpha virt. eigenvalues --    0.16303   0.16389   0.16560   0.16721   0.16994
 Alpha virt. eigenvalues --    0.17088   0.17340   0.17447   0.17588   0.17733
 Alpha virt. eigenvalues --    0.17909   0.18111   0.18289   0.18406   0.18539
 Alpha virt. eigenvalues --    0.18672   0.18804   0.18908   0.19033   0.19245
 Alpha virt. eigenvalues --    0.19343   0.19642   0.19697   0.20014   0.20170
 Alpha virt. eigenvalues --    0.20319   0.20391   0.20609   0.20691   0.20803
 Alpha virt. eigenvalues --    0.20929   0.21150   0.21445   0.21548   0.21602
 Alpha virt. eigenvalues --    0.21986   0.22100   0.22148   0.22343   0.22583
 Alpha virt. eigenvalues --    0.22612   0.22728   0.22908   0.23059   0.23154
 Alpha virt. eigenvalues --    0.23282   0.23347   0.23557   0.23744   0.23843
 Alpha virt. eigenvalues --    0.24115   0.24208   0.24489   0.24688   0.24784
 Alpha virt. eigenvalues --    0.24839   0.24903   0.25075   0.25229   0.25445
 Alpha virt. eigenvalues --    0.25596   0.25644   0.25941   0.26098   0.26149
 Alpha virt. eigenvalues --    0.26242   0.26330   0.26570   0.26605   0.26765
 Alpha virt. eigenvalues --    0.26939   0.27237   0.27366   0.27379   0.27590
 Alpha virt. eigenvalues --    0.28020   0.28177   0.28312   0.28437   0.28530
 Alpha virt. eigenvalues --    0.28739   0.28779   0.28949   0.29285   0.29396
 Alpha virt. eigenvalues --    0.29601   0.29713   0.29883   0.30061   0.30292
 Alpha virt. eigenvalues --    0.30545   0.30757   0.30915   0.30949   0.31137
 Alpha virt. eigenvalues --    0.31257   0.31409   0.31624   0.31817   0.31994
 Alpha virt. eigenvalues --    0.32080   0.32329   0.32416   0.32768   0.32862
 Alpha virt. eigenvalues --    0.33159   0.33328   0.33516   0.33785   0.33863
 Alpha virt. eigenvalues --    0.33973   0.34096   0.34403   0.34540   0.34629
 Alpha virt. eigenvalues --    0.34739   0.34976   0.35269   0.35351   0.35629
 Alpha virt. eigenvalues --    0.35725   0.35873   0.35982   0.36338   0.36414
 Alpha virt. eigenvalues --    0.36712   0.36859   0.36928   0.37106   0.37204
 Alpha virt. eigenvalues --    0.37316   0.37532   0.37756   0.37918   0.38130
 Alpha virt. eigenvalues --    0.38182   0.38320   0.38402   0.38559   0.38751
 Alpha virt. eigenvalues --    0.38918   0.39139   0.39351   0.39535   0.39549
 Alpha virt. eigenvalues --    0.39592   0.39809   0.40062   0.40310   0.40368
 Alpha virt. eigenvalues --    0.40477   0.40584   0.40804   0.40905   0.41006
 Alpha virt. eigenvalues --    0.41465   0.41512   0.41706   0.41886   0.41986
 Alpha virt. eigenvalues --    0.42156   0.42265   0.42373   0.42523   0.42768
 Alpha virt. eigenvalues --    0.42908   0.43090   0.43436   0.43703   0.43909
 Alpha virt. eigenvalues --    0.43974   0.44110   0.44217   0.44383   0.44424
 Alpha virt. eigenvalues --    0.44794   0.45026   0.45380   0.45457   0.45522
 Alpha virt. eigenvalues --    0.45667   0.45993   0.46122   0.46328   0.46454
 Alpha virt. eigenvalues --    0.46498   0.46780   0.47150   0.47208   0.47496
 Alpha virt. eigenvalues --    0.47670   0.47853   0.47945   0.48277   0.48422
 Alpha virt. eigenvalues --    0.48532   0.48583   0.48765   0.49128   0.49219
 Alpha virt. eigenvalues --    0.49493   0.49656   0.49956   0.50233   0.50386
 Alpha virt. eigenvalues --    0.50609   0.50684   0.50839   0.51192   0.51312
 Alpha virt. eigenvalues --    0.51588   0.51781   0.52081   0.52097   0.52280
 Alpha virt. eigenvalues --    0.52450   0.52772   0.52988   0.53321   0.53623
 Alpha virt. eigenvalues --    0.53983   0.54021   0.54381   0.54480   0.54585
 Alpha virt. eigenvalues --    0.54822   0.55073   0.55183   0.55381   0.55521
 Alpha virt. eigenvalues --    0.55801   0.56087   0.56236   0.56568   0.56647
 Alpha virt. eigenvalues --    0.56963   0.57206   0.57285   0.57393   0.57627
 Alpha virt. eigenvalues --    0.57834   0.58069   0.58198   0.58394   0.58621
 Alpha virt. eigenvalues --    0.58747   0.58906   0.59461   0.59485   0.59749
 Alpha virt. eigenvalues --    0.60003   0.60212   0.60274   0.60426   0.60544
 Alpha virt. eigenvalues --    0.60665   0.60789   0.61225   0.61404   0.61547
 Alpha virt. eigenvalues --    0.61628   0.61648   0.61886   0.61964   0.62280
 Alpha virt. eigenvalues --    0.62455   0.62689   0.62774   0.63021   0.63243
 Alpha virt. eigenvalues --    0.63534   0.63601   0.63793   0.63940   0.64115
 Alpha virt. eigenvalues --    0.64375   0.64414   0.64546   0.64715   0.65068
 Alpha virt. eigenvalues --    0.65099   0.65170   0.65402   0.65538   0.65909
 Alpha virt. eigenvalues --    0.66100   0.66369   0.66446   0.66662   0.66781
 Alpha virt. eigenvalues --    0.66951   0.67218   0.67279   0.67352   0.67497
 Alpha virt. eigenvalues --    0.67707   0.67907   0.68124   0.68229   0.68415
 Alpha virt. eigenvalues --    0.68551   0.68648   0.68765   0.69014   0.69196
 Alpha virt. eigenvalues --    0.69396   0.69431   0.69592   0.69900   0.69967
 Alpha virt. eigenvalues --    0.70067   0.70340   0.70511   0.70536   0.70843
 Alpha virt. eigenvalues --    0.70948   0.71121   0.71425   0.71523   0.71680
 Alpha virt. eigenvalues --    0.71813   0.72266   0.72412   0.72606   0.72726
 Alpha virt. eigenvalues --    0.72862   0.73039   0.73189   0.73398   0.73498
 Alpha virt. eigenvalues --    0.73580   0.73868   0.74123   0.74210   0.74429
 Alpha virt. eigenvalues --    0.74595   0.74892   0.75174   0.75279   0.75405
 Alpha virt. eigenvalues --    0.75562   0.75820   0.76152   0.76310   0.76533
 Alpha virt. eigenvalues --    0.76744   0.76803   0.76834   0.77048   0.77265
 Alpha virt. eigenvalues --    0.77456   0.77551   0.77712   0.78004   0.78278
 Alpha virt. eigenvalues --    0.78537   0.78701   0.79220   0.79286   0.79456
 Alpha virt. eigenvalues --    0.79647   0.79907   0.79947   0.80262   0.80429
 Alpha virt. eigenvalues --    0.80718   0.80786   0.80964   0.81315   0.81566
 Alpha virt. eigenvalues --    0.81660   0.81771   0.81918   0.82214   0.82360
 Alpha virt. eigenvalues --    0.82764   0.82911   0.83003   0.83290   0.83716
 Alpha virt. eigenvalues --    0.83922   0.84057   0.84388   0.84590   0.84783
 Alpha virt. eigenvalues --    0.84871   0.85217   0.85353   0.85502   0.85690
 Alpha virt. eigenvalues --    0.86000   0.86250   0.86354   0.86614   0.86729
 Alpha virt. eigenvalues --    0.86986   0.87269   0.87378   0.87570   0.87789
 Alpha virt. eigenvalues --    0.88001   0.88172   0.88303   0.88821   0.88895
 Alpha virt. eigenvalues --    0.89197   0.89298   0.89686   0.89794   0.89806
 Alpha virt. eigenvalues --    0.90069   0.90272   0.90477   0.90851   0.91004
 Alpha virt. eigenvalues --    0.91257   0.91373   0.91679   0.91845   0.92012
 Alpha virt. eigenvalues --    0.92297   0.92477   0.92624   0.93051   0.93174
 Alpha virt. eigenvalues --    0.93362   0.93551   0.93602   0.93883   0.94166
 Alpha virt. eigenvalues --    0.94286   0.94482   0.94720   0.94919   0.95221
 Alpha virt. eigenvalues --    0.95572   0.95598   0.95842   0.95857   0.96111
 Alpha virt. eigenvalues --    0.96152   0.96464   0.96645   0.96755   0.96958
 Alpha virt. eigenvalues --    0.97087   0.97216   0.97445   0.97824   0.97960
 Alpha virt. eigenvalues --    0.98111   0.98522   0.98620   0.98934   0.98953
 Alpha virt. eigenvalues --    0.99161   0.99346   0.99515   0.99693   0.99908
 Alpha virt. eigenvalues --    1.00269   1.00354   1.00566   1.00663   1.01001
 Alpha virt. eigenvalues --    1.01205   1.01486   1.01745   1.02157   1.02225
 Alpha virt. eigenvalues --    1.02399   1.02686   1.03077   1.03223   1.03241
 Alpha virt. eigenvalues --    1.03493   1.03701   1.04025   1.04138   1.04368
 Alpha virt. eigenvalues --    1.04798   1.04871   1.05227   1.05468   1.05538
 Alpha virt. eigenvalues --    1.05879   1.06164   1.06222   1.06461   1.06705
 Alpha virt. eigenvalues --    1.07021   1.07202   1.07346   1.07502   1.07781
 Alpha virt. eigenvalues --    1.07980   1.08101   1.08451   1.08490   1.08865
 Alpha virt. eigenvalues --    1.09092   1.09135   1.09358   1.09598   1.09855
 Alpha virt. eigenvalues --    1.10094   1.10445   1.10624   1.10689   1.11095
 Alpha virt. eigenvalues --    1.11289   1.11390   1.11582   1.11724   1.11846
 Alpha virt. eigenvalues --    1.12397   1.12532   1.12666   1.12779   1.12989
 Alpha virt. eigenvalues --    1.13434   1.13539   1.13911   1.14193   1.14527
 Alpha virt. eigenvalues --    1.14619   1.14688   1.14902   1.14952   1.15391
 Alpha virt. eigenvalues --    1.15447   1.15546   1.15877   1.16154   1.16229
 Alpha virt. eigenvalues --    1.16504   1.16617   1.16940   1.17282   1.17363
 Alpha virt. eigenvalues --    1.17684   1.18027   1.18301   1.18524   1.18789
 Alpha virt. eigenvalues --    1.18945   1.19149   1.19765   1.19849   1.20109
 Alpha virt. eigenvalues --    1.20163   1.20741   1.20846   1.20906   1.21172
 Alpha virt. eigenvalues --    1.21403   1.21661   1.21918   1.22201   1.22356
 Alpha virt. eigenvalues --    1.22528   1.22670   1.23001   1.23231   1.23660
 Alpha virt. eigenvalues --    1.23833   1.24262   1.24592   1.24617   1.24973
 Alpha virt. eigenvalues --    1.25310   1.25562   1.25802   1.26149   1.26187
 Alpha virt. eigenvalues --    1.26557   1.26836   1.27269   1.27481   1.28001
 Alpha virt. eigenvalues --    1.28398   1.28574   1.28589   1.29101   1.29281
 Alpha virt. eigenvalues --    1.29749   1.29980   1.30208   1.30559   1.30812
 Alpha virt. eigenvalues --    1.31328   1.31693   1.31945   1.32137   1.32621
 Alpha virt. eigenvalues --    1.33047   1.33389   1.33593   1.34121   1.34345
 Alpha virt. eigenvalues --    1.34629   1.35006   1.35561   1.35675   1.36113
 Alpha virt. eigenvalues --    1.36283   1.36383   1.37080   1.37253   1.37572
 Alpha virt. eigenvalues --    1.37806   1.38181   1.38360   1.38735   1.38993
 Alpha virt. eigenvalues --    1.39072   1.39698   1.39961   1.40324   1.40394
 Alpha virt. eigenvalues --    1.40792   1.41241   1.41655   1.42057   1.42249
 Alpha virt. eigenvalues --    1.42755   1.43206   1.43425   1.43976   1.44054
 Alpha virt. eigenvalues --    1.44495   1.45087   1.45530   1.46015   1.46215
 Alpha virt. eigenvalues --    1.46573   1.46693   1.47883   1.47981   1.48204
 Alpha virt. eigenvalues --    1.48547   1.49397   1.49877   1.50094   1.50221
 Alpha virt. eigenvalues --    1.50971   1.51384   1.51878   1.52183   1.52218
 Alpha virt. eigenvalues --    1.53103   1.53417   1.53482   1.53828   1.54100
 Alpha virt. eigenvalues --    1.54417   1.54964   1.54989   1.55621   1.56132
 Alpha virt. eigenvalues --    1.56512   1.56599   1.57106   1.57232   1.57549
 Alpha virt. eigenvalues --    1.58030   1.58244   1.59148   1.59596   1.60058
 Alpha virt. eigenvalues --    1.60237   1.60970   1.61215   1.61403   1.62230
 Alpha virt. eigenvalues --    1.62596   1.63101   1.63163   1.63564   1.64112
 Alpha virt. eigenvalues --    1.64922   1.65265   1.65851   1.65978   1.66489
 Alpha virt. eigenvalues --    1.66990   1.67364   1.67821   1.68121   1.68393
 Alpha virt. eigenvalues --    1.68658   1.69460   1.69855   1.70111   1.70395
 Alpha virt. eigenvalues --    1.70876   1.70927   1.71539   1.71846   1.71965
 Alpha virt. eigenvalues --    1.72615   1.73041   1.73484   1.73910   1.74182
 Alpha virt. eigenvalues --    1.75367   1.75434   1.75799   1.76512   1.76729
 Alpha virt. eigenvalues --    1.76974   1.77441   1.77589   1.77859   1.78265
 Alpha virt. eigenvalues --    1.78413   1.79218   1.79449   1.80059   1.80297
 Alpha virt. eigenvalues --    1.80535   1.81303   1.81748   1.82008   1.82399
 Alpha virt. eigenvalues --    1.82691   1.82841   1.83652   1.83882   1.84458
 Alpha virt. eigenvalues --    1.84811   1.84975   1.85439   1.85697   1.85884
 Alpha virt. eigenvalues --    1.86079   1.86806   1.86991   1.87450   1.87657
 Alpha virt. eigenvalues --    1.88164   1.88262   1.88568   1.88856   1.89292
 Alpha virt. eigenvalues --    1.89408   1.89820   1.90249   1.90703   1.90957
 Alpha virt. eigenvalues --    1.91207   1.91351   1.91353   1.91465   1.92029
 Alpha virt. eigenvalues --    1.92249   1.92723   1.92985   1.93394   1.93509
 Alpha virt. eigenvalues --    1.94109   1.94417   1.94525   1.94675   1.95062
 Alpha virt. eigenvalues --    1.95251   1.95596   1.95945   1.96193   1.96344
 Alpha virt. eigenvalues --    1.96767   1.97250   1.97509   1.97753   1.98200
 Alpha virt. eigenvalues --    1.98225   1.98521   1.98806   1.99384   1.99579
 Alpha virt. eigenvalues --    1.99839   2.00140   2.00216   2.00716   2.01021
 Alpha virt. eigenvalues --    2.01384   2.01694   2.02233   2.02369   2.02681
 Alpha virt. eigenvalues --    2.02763   2.03301   2.03470   2.04074   2.04384
 Alpha virt. eigenvalues --    2.04847   2.05202   2.05387   2.05518   2.05604
 Alpha virt. eigenvalues --    2.06132   2.06529   2.07098   2.07338   2.07783
 Alpha virt. eigenvalues --    2.08073   2.08400   2.08789   2.09050   2.09608
 Alpha virt. eigenvalues --    2.09679   2.10791   2.11177   2.11288   2.11823
 Alpha virt. eigenvalues --    2.12076   2.12119   2.12742   2.12855   2.13373
 Alpha virt. eigenvalues --    2.13596   2.14026   2.14167   2.14614   2.14708
 Alpha virt. eigenvalues --    2.15140   2.15311   2.15950   2.16232   2.16664
 Alpha virt. eigenvalues --    2.16943   2.17318   2.17741   2.18368   2.18609
 Alpha virt. eigenvalues --    2.18873   2.19059   2.19397   2.19667   2.20295
 Alpha virt. eigenvalues --    2.20638   2.20896   2.21008   2.21943   2.22389
 Alpha virt. eigenvalues --    2.22673   2.23230   2.23719   2.24025   2.24198
 Alpha virt. eigenvalues --    2.24645   2.25422   2.25608   2.26028   2.26231
 Alpha virt. eigenvalues --    2.26712   2.26876   2.27671   2.28386   2.28809
 Alpha virt. eigenvalues --    2.29033   2.29914   2.30289   2.30579   2.30621
 Alpha virt. eigenvalues --    2.31134   2.31840   2.32227   2.32460   2.33005
 Alpha virt. eigenvalues --    2.33506   2.33847   2.34327   2.34691   2.35107
 Alpha virt. eigenvalues --    2.35593   2.35781   2.36531   2.37232   2.37698
 Alpha virt. eigenvalues --    2.37998   2.38044   2.38701   2.39082   2.39497
 Alpha virt. eigenvalues --    2.39639   2.40196   2.40799   2.41325   2.42091
 Alpha virt. eigenvalues --    2.42357   2.42891   2.43122   2.43433   2.43890
 Alpha virt. eigenvalues --    2.44874   2.45067   2.45186   2.46121   2.46443
 Alpha virt. eigenvalues --    2.46554   2.47761   2.48136   2.48313   2.49042
 Alpha virt. eigenvalues --    2.49651   2.50002   2.50404   2.50886   2.51004
 Alpha virt. eigenvalues --    2.52227   2.52494   2.52666   2.52827   2.53180
 Alpha virt. eigenvalues --    2.54145   2.54206   2.54468   2.55092   2.55286
 Alpha virt. eigenvalues --    2.55897   2.56205   2.56603   2.56698   2.57230
 Alpha virt. eigenvalues --    2.57865   2.58036   2.58278   2.58511   2.58902
 Alpha virt. eigenvalues --    2.59157   2.59627   2.60068   2.60525   2.61182
 Alpha virt. eigenvalues --    2.61541   2.62122   2.62262   2.63059   2.63598
 Alpha virt. eigenvalues --    2.64238   2.64810   2.65519   2.66580   2.67100
 Alpha virt. eigenvalues --    2.67674   2.67915   2.68143   2.68578   2.68985
 Alpha virt. eigenvalues --    2.69333   2.69676   2.69925   2.70169   2.70528
 Alpha virt. eigenvalues --    2.70926   2.71570   2.72082   2.72352   2.72681
 Alpha virt. eigenvalues --    2.73066   2.73744   2.73873   2.74348   2.74502
 Alpha virt. eigenvalues --    2.75102   2.75456   2.75560   2.76239   2.76562
 Alpha virt. eigenvalues --    2.76794   2.77034   2.77238   2.77963   2.78161
 Alpha virt. eigenvalues --    2.78943   2.79024   2.79356   2.79605   2.79891
 Alpha virt. eigenvalues --    2.80712   2.81307   2.81630   2.81972   2.82207
 Alpha virt. eigenvalues --    2.82696   2.82887   2.83167   2.83719   2.84169
 Alpha virt. eigenvalues --    2.84279   2.84580   2.84734   2.85110   2.85567
 Alpha virt. eigenvalues --    2.85833   2.86529   2.87205   2.87232   2.87937
 Alpha virt. eigenvalues --    2.88700   2.88924   2.89412   2.89929   2.90071
 Alpha virt. eigenvalues --    2.90484   2.90667   2.90979   2.91149   2.91328
 Alpha virt. eigenvalues --    2.91938   2.92539   2.92863   2.93215   2.93645
 Alpha virt. eigenvalues --    2.93972   2.94466   2.94770   2.94934   2.95304
 Alpha virt. eigenvalues --    2.95650   2.96018   2.96578   2.96672   2.97006
 Alpha virt. eigenvalues --    2.97928   2.98944   2.99009   2.99498   2.99700
 Alpha virt. eigenvalues --    3.00051   3.00233   3.00845   3.01470   3.01573
 Alpha virt. eigenvalues --    3.02536   3.02936   3.03317   3.03471   3.03762
 Alpha virt. eigenvalues --    3.03868   3.04063   3.04482   3.05097   3.05614
 Alpha virt. eigenvalues --    3.05816   3.06393   3.06965   3.07258   3.07550
 Alpha virt. eigenvalues --    3.08116   3.08293   3.08573   3.08735   3.09223
 Alpha virt. eigenvalues --    3.09518   3.09716   3.10099   3.10367   3.10588
 Alpha virt. eigenvalues --    3.10883   3.10915   3.11347   3.11809   3.12216
 Alpha virt. eigenvalues --    3.12470   3.12669   3.13041   3.13917   3.14115
 Alpha virt. eigenvalues --    3.14302   3.14419   3.14779   3.14972   3.15150
 Alpha virt. eigenvalues --    3.15544   3.15737   3.16293   3.16577   3.16940
 Alpha virt. eigenvalues --    3.17038   3.17309   3.17483   3.17837   3.18052
 Alpha virt. eigenvalues --    3.18266   3.18595   3.18790   3.19055   3.19550
 Alpha virt. eigenvalues --    3.19820   3.20147   3.20284   3.20632   3.21093
 Alpha virt. eigenvalues --    3.21424   3.21706   3.21834   3.22025   3.22415
 Alpha virt. eigenvalues --    3.22489   3.22967   3.23200   3.23431   3.23669
 Alpha virt. eigenvalues --    3.23842   3.24309   3.24412   3.24719   3.24847
 Alpha virt. eigenvalues --    3.25321   3.25856   3.25976   3.26390   3.26734
 Alpha virt. eigenvalues --    3.26871   3.27142   3.27827   3.28107   3.28148
 Alpha virt. eigenvalues --    3.28593   3.29018   3.29164   3.29310   3.29927
 Alpha virt. eigenvalues --    3.30106   3.30450   3.31019   3.31147   3.31524
 Alpha virt. eigenvalues --    3.31666   3.31953   3.32413   3.32778   3.33115
 Alpha virt. eigenvalues --    3.33458   3.33911   3.34129   3.34245   3.34759
 Alpha virt. eigenvalues --    3.35030   3.35234   3.35401   3.35784   3.36127
 Alpha virt. eigenvalues --    3.36485   3.36749   3.37109   3.37195   3.37869
 Alpha virt. eigenvalues --    3.38172   3.38440   3.38795   3.39106   3.39669
 Alpha virt. eigenvalues --    3.40204   3.40314   3.40576   3.40939   3.41098
 Alpha virt. eigenvalues --    3.41829   3.42210   3.42527   3.42717   3.42893
 Alpha virt. eigenvalues --    3.43475   3.43867   3.44325   3.44856   3.45028
 Alpha virt. eigenvalues --    3.45209   3.45623   3.45897   3.46390   3.46573
 Alpha virt. eigenvalues --    3.47038   3.47352   3.47413   3.47870   3.48137
 Alpha virt. eigenvalues --    3.48419   3.48796   3.49158   3.49440   3.49892
 Alpha virt. eigenvalues --    3.50292   3.51038   3.51395   3.52042   3.52321
 Alpha virt. eigenvalues --    3.52573   3.52824   3.53037   3.53427   3.53671
 Alpha virt. eigenvalues --    3.54395   3.54709   3.55366   3.55543   3.55805
 Alpha virt. eigenvalues --    3.56382   3.57217   3.57507   3.57620   3.58406
 Alpha virt. eigenvalues --    3.58543   3.58818   3.59017   3.59381   3.59585
 Alpha virt. eigenvalues --    3.59690   3.60915   3.61064   3.61525   3.61651
 Alpha virt. eigenvalues --    3.61885   3.62439   3.62594   3.62840   3.63137
 Alpha virt. eigenvalues --    3.63438   3.63507   3.64239   3.64366   3.64606
 Alpha virt. eigenvalues --    3.64943   3.65259   3.65310   3.65761   3.66066
 Alpha virt. eigenvalues --    3.66408   3.66471   3.67032   3.67316   3.67450
 Alpha virt. eigenvalues --    3.67933   3.68719   3.68978   3.70005   3.70564
 Alpha virt. eigenvalues --    3.71434   3.71911   3.72366   3.72445   3.73043
 Alpha virt. eigenvalues --    3.73410   3.73661   3.74196   3.74555   3.74711
 Alpha virt. eigenvalues --    3.75462   3.75864   3.76389   3.76752   3.77407
 Alpha virt. eigenvalues --    3.77506   3.77619   3.77937   3.78124   3.78883
 Alpha virt. eigenvalues --    3.79171   3.79791   3.80023   3.80271   3.80971
 Alpha virt. eigenvalues --    3.81927   3.82654   3.83458   3.83940   3.85027
 Alpha virt. eigenvalues --    3.85773   3.85864   3.86237   3.86643   3.86946
 Alpha virt. eigenvalues --    3.87389   3.87917   3.88572   3.88952   3.89382
 Alpha virt. eigenvalues --    3.89672   3.90011   3.90511   3.91064   3.91463
 Alpha virt. eigenvalues --    3.91813   3.92267   3.93326   3.94125   3.95120
 Alpha virt. eigenvalues --    3.95386   3.96419   3.96918   3.97041   3.97727
 Alpha virt. eigenvalues --    3.97963   3.98273   3.99055   3.99627   3.99761
 Alpha virt. eigenvalues --    4.01448   4.01832   4.02154   4.02250   4.03619
 Alpha virt. eigenvalues --    4.04380   4.04736   4.05201   4.05859   4.06137
 Alpha virt. eigenvalues --    4.06729   4.06978   4.07967   4.08599   4.09118
 Alpha virt. eigenvalues --    4.09634   4.09847   4.09966   4.10785   4.11167
 Alpha virt. eigenvalues --    4.11561   4.12061   4.12550   4.12848   4.13318
 Alpha virt. eigenvalues --    4.13385   4.13892   4.14341   4.14614   4.14998
 Alpha virt. eigenvalues --    4.15946   4.16166   4.17048   4.17855   4.18563
 Alpha virt. eigenvalues --    4.19216   4.19434   4.20870   4.21082   4.21593
 Alpha virt. eigenvalues --    4.21973   4.22426   4.23221   4.23787   4.24555
 Alpha virt. eigenvalues --    4.24919   4.25288   4.26784   4.27005   4.27200
 Alpha virt. eigenvalues --    4.27589   4.28013   4.28254   4.28436   4.28738
 Alpha virt. eigenvalues --    4.29012   4.29383   4.29778   4.29865   4.30133
 Alpha virt. eigenvalues --    4.30715   4.31078   4.31219   4.31799   4.32030
 Alpha virt. eigenvalues --    4.32262   4.32486   4.32753   4.33154   4.33296
 Alpha virt. eigenvalues --    4.33651   4.33979   4.34350   4.34734   4.35003
 Alpha virt. eigenvalues --    4.35387   4.35765   4.36349   4.36532   4.36918
 Alpha virt. eigenvalues --    4.37226   4.37707   4.38047   4.38344   4.38736
 Alpha virt. eigenvalues --    4.39281   4.39731   4.40171   4.40354   4.40549
 Alpha virt. eigenvalues --    4.40734   4.40923   4.41581   4.42211   4.43089
 Alpha virt. eigenvalues --    4.44739   4.45237   4.45366   4.46555   4.47157
 Alpha virt. eigenvalues --    4.47689   4.48199   4.48441   4.49200   4.49523
 Alpha virt. eigenvalues --    4.49601   4.49874   4.50422   4.51027   4.51258
 Alpha virt. eigenvalues --    4.51725   4.52169   4.52525   4.52747   4.53767
 Alpha virt. eigenvalues --    4.54074   4.55792   4.56893   4.57610   4.57696
 Alpha virt. eigenvalues --    4.58032   4.58606   4.59264   4.59529   4.60828
 Alpha virt. eigenvalues --    4.61118   4.61927   4.63368   4.63863   4.64630
 Alpha virt. eigenvalues --    4.64879   4.65332   4.65722   4.65923   4.67340
 Alpha virt. eigenvalues --    4.67483   4.68001   4.68413   4.69237   4.69962
 Alpha virt. eigenvalues --    4.70310   4.71254   4.71368   4.71641   4.72300
 Alpha virt. eigenvalues --    4.72686   4.73119   4.73311   4.74936   4.75000
 Alpha virt. eigenvalues --    4.75962   4.76234   4.76691   4.77260   4.77861
 Alpha virt. eigenvalues --    4.78218   4.78590   4.78969   4.79596   4.80079
 Alpha virt. eigenvalues --    4.80253   4.80899   4.81372   4.82350   4.82577
 Alpha virt. eigenvalues --    4.82885   4.83093   4.83281   4.83579   4.84105
 Alpha virt. eigenvalues --    4.84130   4.85211   4.85725   4.86082   4.86324
 Alpha virt. eigenvalues --    4.86822   4.87210   4.89198   4.90203   4.91377
 Alpha virt. eigenvalues --    4.91820   4.92065   4.92933   4.93445   4.94884
 Alpha virt. eigenvalues --    4.95089   4.95327   4.96640   4.97065   4.97191
 Alpha virt. eigenvalues --    4.98220   4.98490   4.98598   4.98957   4.99152
 Alpha virt. eigenvalues --    4.99251   5.00016   5.00156   5.01049   5.01185
 Alpha virt. eigenvalues --    5.01668   5.02155   5.03077   5.03262   5.03409
 Alpha virt. eigenvalues --    5.03743   5.04143   5.04455   5.04851   5.05113
 Alpha virt. eigenvalues --    5.05271   5.05934   5.06229   5.06359   5.06409
 Alpha virt. eigenvalues --    5.06679   5.07001   5.07291   5.07431   5.08414
 Alpha virt. eigenvalues --    5.08519   5.08781   5.09185   5.09542   5.09673
 Alpha virt. eigenvalues --    5.09929   5.09940   5.10593   5.10924   5.11691
 Alpha virt. eigenvalues --    5.11881   5.12549   5.12847   5.13542   5.13898
 Alpha virt. eigenvalues --    5.14695   5.15142   5.15332   5.15873   5.16119
 Alpha virt. eigenvalues --    5.16596   5.16999   5.17107   5.17705   5.18365
 Alpha virt. eigenvalues --    5.18619   5.18987   5.19527   5.20534   5.21807
 Alpha virt. eigenvalues --    5.22099   5.22215   5.23460   5.24533   5.24726
 Alpha virt. eigenvalues --    5.25323   5.26641   5.26922   5.27788   5.28271
 Alpha virt. eigenvalues --    5.28969   5.29928   5.30038   5.30597   5.31606
 Alpha virt. eigenvalues --    5.32316   5.32729   5.33108   5.33815   5.34841
 Alpha virt. eigenvalues --    5.36466   5.36611   5.38890   5.39442   5.41466
 Alpha virt. eigenvalues --    5.42564   5.45464   5.46619   5.47765   5.48298
 Alpha virt. eigenvalues --    5.48862   5.49645   5.50477   5.50680   5.52268
 Alpha virt. eigenvalues --    5.53586   5.53875   5.54469   5.55537   5.55798
 Alpha virt. eigenvalues --    5.56368   5.56450   5.56802   5.57128   5.57771
 Alpha virt. eigenvalues --    5.58600   5.59070   5.59617   5.59777   5.60140
 Alpha virt. eigenvalues --    5.61109   5.61468   5.62170   5.62693   5.64084
 Alpha virt. eigenvalues --    5.64763   5.65081   5.65353   5.65608   5.67428
 Alpha virt. eigenvalues --    5.69185   5.69821   5.71366   5.71759   5.72656
 Alpha virt. eigenvalues --    5.73070   5.73930   5.74656   5.75232   5.75731
 Alpha virt. eigenvalues --    5.76107   5.77050   5.77244   5.78299   5.78967
 Alpha virt. eigenvalues --    5.81930   5.82657   5.82913   5.84668   5.86993
 Alpha virt. eigenvalues --    5.88580   5.91356   5.95346   5.97139   5.98680
 Alpha virt. eigenvalues --    5.99222   6.01012   6.01928   6.03549   6.05265
 Alpha virt. eigenvalues --    6.06770   6.09192   6.12556   6.19962   6.20813
 Alpha virt. eigenvalues --    6.22374   6.23728   6.23939   6.24716   6.27955
 Alpha virt. eigenvalues --    6.32532   6.33709   6.33945   6.35836   6.36882
 Alpha virt. eigenvalues --    6.37308   6.38202   6.41323   6.42878   6.44312
 Alpha virt. eigenvalues --    6.46429   6.49255   6.53075   6.61460   6.67551
 Alpha virt. eigenvalues --    6.68252   6.68357   6.71375   6.77760   6.82685
 Alpha virt. eigenvalues --    6.83598   6.86163   6.87241   6.88700   6.89502
 Alpha virt. eigenvalues --    7.05390   7.12029   7.14426   7.20406   7.33077
 Alpha virt. eigenvalues --    7.36798   7.37755   7.38081   7.42308   7.42514
 Alpha virt. eigenvalues --    7.44109   7.45038   7.45467   7.46203   7.47856
 Alpha virt. eigenvalues --    7.49017   7.50896   7.52983   7.53505   7.53903
 Alpha virt. eigenvalues --    7.54603   7.55133   7.55650   7.56307   7.56453
 Alpha virt. eigenvalues --    7.56634   7.57211   7.57512   7.57866   7.58403
 Alpha virt. eigenvalues --    7.58977   7.60421   7.62199   7.62795   7.63657
 Alpha virt. eigenvalues --    7.65533   7.67213   7.67624   7.69397   7.69844
 Alpha virt. eigenvalues --    7.70158   7.70634   7.71071   7.72406   7.73348
 Alpha virt. eigenvalues --    7.74628   7.74855   7.75146   7.76392   7.76517
 Alpha virt. eigenvalues --    7.77434   7.79046   7.79522   7.79731   7.81756
 Alpha virt. eigenvalues --    7.82741   7.83504   7.83746   7.84613   7.85558
 Alpha virt. eigenvalues --    7.89029   7.89753   7.90148   7.91242   7.91827
 Alpha virt. eigenvalues --    7.93410   7.94650   7.95324   7.97413   7.98753
 Alpha virt. eigenvalues --    7.98940   7.99913   8.00121   8.00229   8.00802
 Alpha virt. eigenvalues --    8.01672   8.02006   8.02629   8.03405   8.03943
 Alpha virt. eigenvalues --    8.05486   8.05725   8.05955   8.06670   8.07333
 Alpha virt. eigenvalues --    8.07765   8.08273   8.08969   8.09339   8.09906
 Alpha virt. eigenvalues --    8.10296   8.10857   8.13155   8.13852   8.13929
 Alpha virt. eigenvalues --    8.16511   8.16899   8.20696   8.22031   8.22197
 Alpha virt. eigenvalues --    8.23051   8.25601   8.27134   8.28204   8.30034
 Alpha virt. eigenvalues --    8.32423   8.38021   8.40699   8.45767   8.47658
 Alpha virt. eigenvalues --    8.48656   8.48828   8.49497   8.50184   8.50331
 Alpha virt. eigenvalues --    8.50887   8.51521   8.52082   8.53111   8.53829
 Alpha virt. eigenvalues --    8.54039   8.54558   8.55392   8.55637   8.56081
 Alpha virt. eigenvalues --    8.56498   8.57619   8.58177   8.58468   8.58886
 Alpha virt. eigenvalues --    8.59487   8.59704   8.59853   8.60869   8.61010
 Alpha virt. eigenvalues --    8.61446   8.61808   8.62177   8.62260   8.63184
 Alpha virt. eigenvalues --    8.63838   8.64116   8.64521   8.65149   8.65371
 Alpha virt. eigenvalues --    8.66134   8.66310   8.66743   8.68144   8.68880
 Alpha virt. eigenvalues --    8.69636   8.70009   8.71001   8.71525   8.71738
 Alpha virt. eigenvalues --    8.72492   8.73356   8.74538   8.75680   8.76719
 Alpha virt. eigenvalues --    8.76854   8.77095   8.78280   8.78971   8.79132
 Alpha virt. eigenvalues --    8.79704   8.80086   8.81120   8.81539   8.82050
 Alpha virt. eigenvalues --    8.82390   8.82699   8.83000   8.83181   8.83464
 Alpha virt. eigenvalues --    8.83689   8.84029   8.84354   8.84574   8.85170
 Alpha virt. eigenvalues --    8.85663   8.86086   8.86851   8.87163   8.87344
 Alpha virt. eigenvalues --    8.87812   8.88143   8.88523   8.89446   8.89931
 Alpha virt. eigenvalues --    8.90575   8.91468   8.91992   8.92206   8.92713
 Alpha virt. eigenvalues --    8.93189   8.94066   8.94909   8.95385   8.96497
 Alpha virt. eigenvalues --    8.97989   8.98216   8.99437   9.01203   9.01875
 Alpha virt. eigenvalues --    9.04345   9.05580   9.07959   9.08721   9.10140
 Alpha virt. eigenvalues --    9.13380   9.21406   9.43348   9.46548   9.47019
 Alpha virt. eigenvalues --    9.48084   9.49507   9.49636   9.52333   9.54805
 Alpha virt. eigenvalues --    9.55686   9.57271   9.68128   9.68338   9.70618
 Alpha virt. eigenvalues --    9.72746   9.73361   9.74470   9.77516   9.79427
 Alpha virt. eigenvalues --    9.79728   9.81687   9.83701   9.84555   9.85250
 Alpha virt. eigenvalues --    9.86465   9.86543   9.87587   9.88969   9.89860
 Alpha virt. eigenvalues --    9.90066   9.90495   9.90936   9.91207   9.91832
 Alpha virt. eigenvalues --    9.92511   9.92519   9.92703   9.93066   9.93797
 Alpha virt. eigenvalues --    9.94794   9.95495   9.98049   9.99051   9.99235
 Alpha virt. eigenvalues --   10.65235  10.66106  10.67415  10.68199  10.69530
 Alpha virt. eigenvalues --   10.71463  10.74344  10.74955  10.75955  10.76169
 Alpha virt. eigenvalues --   10.77039  10.77335  10.82870  10.83098  10.84031
 Alpha virt. eigenvalues --   10.84871  10.87058  10.87705  10.88945  11.04739
 Alpha virt. eigenvalues --   11.05701  11.06374  11.07285  11.08210  11.31902
 Alpha virt. eigenvalues --   11.33131  11.34548  11.40934  11.41748  11.45321
 Alpha virt. eigenvalues --   11.53540  11.55280  11.58500  11.59807  11.60801
 Alpha virt. eigenvalues --   11.70530  11.73539  12.06707  12.07689  12.09063
 Alpha virt. eigenvalues --   14.63382  14.64040  14.66321  14.68942  14.69556
 Alpha virt. eigenvalues --   14.70249  14.72898  14.77090  14.81278  14.84534
 Alpha virt. eigenvalues --   14.86143  14.87173  14.87956  14.93294  14.96916
 Alpha virt. eigenvalues --   14.98683  14.99910  15.05607  15.10865  15.19626
 Alpha virt. eigenvalues --   15.30212  15.33228  15.35072  15.46506  15.91892
 Alpha virt. eigenvalues --   25.10790  25.11720  25.12353  25.16719  25.22855
 Alpha virt. eigenvalues --   25.24925  25.86997  25.87782  25.89881  25.91213
 Alpha virt. eigenvalues --   25.92392  25.93447  25.96570  26.01020  26.02884
 Alpha virt. eigenvalues --   26.06407  26.06540  26.16446  26.30982  26.34943
 Alpha virt. eigenvalues --   26.39067  26.41425  26.42714  26.48058  36.44009
 Alpha virt. eigenvalues --   36.44776  36.45282  36.92667  36.93695  36.94349
 Alpha virt. eigenvalues --   36.95314  36.96714  50.49700  50.56832  50.59818
 Alpha virt. eigenvalues --   50.65968  50.92733
          Condensed to atoms (all electrons):
 Mulliken charges:
               1
     1  C   -0.354954
     2  C    0.071769
     3  C    0.724008
     4  C   -0.260658
     5  N   -1.130506
     6  C    0.587188
     7  N   -0.208398
     8  C    0.146660
     9  C   -0.005595
    10  C    0.109224
    11  C    0.623020
    12  O   -0.724467
    13  O   -0.872985
    14  C   -0.149423
    15  C    0.104499
    16  C    0.483373
    17  C    0.053954
    18  N   -1.145473
    19  C    0.678257
    20  N   -0.222153
    21  C   -0.223973
    22  C   -0.000565
    23  C    0.596003
    24  C   -0.029729
    25  N   -1.175386
    26  C    0.725719
    27  N   -0.148217
    28  H    0.027491
    29  H    0.080961
    30  H   -0.019617
    31  H   -0.057104
    32  H   -0.011267
    33  H   -0.022777
    34  H    0.350822
    35  H    0.142632
    36  H   -0.281423
    37  H    0.005289
    38  H   -0.061655
    39  H    0.046360
    40  H   -0.012960
    41  H   -0.099909
    42  H    0.031630
    43  H    0.033351
    44  H    0.052874
    45  H    0.010406
    46  H   -0.022683
    47  H   -0.017838
    48  H   -0.186807
    49  H    0.355597
    50  H   -0.030823
    51  H    0.029177
    52  H   -0.007353
    53  H    0.039447
    54  H   -0.040283
    55  H    0.011135
    56  H   -0.139033
    57  H    0.335455
    58  H   -0.030311
    59  O   -1.173853
    60  H    0.513809
    61  H    0.919971
    62  C    0.748219
    63  O   -0.368072
    64  N   -0.946995
    65  C    0.181093
    66  C    0.922840
    67  O   -0.465909
    68  N   -0.845773
    69  H    0.115152
    70  H   -0.064067
    71  H    0.288224
    72  H    0.257045
    73  C    0.327742
    74  H   -0.088562
    75  H   -0.001718
    76  H    0.135507
    77  C   -0.229381
    78  H    0.020281
    79  H    0.053263
    80  H   -0.060795
 Sum of Mulliken charges =  -1.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.266119
     2  C    0.003397
     3  C    0.724008
     4  C   -0.283435
     5  N   -0.779684
     6  C    0.729819
     7  N   -0.208398
     8  C   -0.191128
     9  C    0.027805
    10  C    0.040945
    11  C    0.623020
    12  O   -0.724467
    13  O   -0.872985
    14  C   -0.052794
    15  C    0.063978
    16  C    0.483373
    17  C   -0.132852
    18  N   -0.789876
    19  C    0.647434
    20  N   -0.222153
    21  C   -0.162702
    22  C   -0.029713
    23  C    0.596003
    24  C   -0.168762
    25  N   -0.839931
    26  C    0.695408
    27  N   -0.148217
    59  O    0.259928
    62  C    0.748219
    63  O   -0.368072
    64  N   -0.658771
    65  C    0.232178
    66  C    0.922840
    67  O   -0.465909
    68  N   -0.588728
    73  C    0.372969
    77  C   -0.216632
 Electronic spatial extent (au):  <R**2>=          20320.4265
 Charge=             -1.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              7.3852    Y=             -2.3982    Z=             -4.2632  Tot=              8.8582
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -249.7167   YY=           -215.0018   ZZ=           -222.6406
   XY=             10.5074   XZ=              8.8937   YZ=             -1.8324
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -20.5970   YY=             14.1179   ZZ=              6.4791
   XY=             10.5074   XZ=              8.8937   YZ=             -1.8324
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            189.9589  YYY=            154.2927  ZZZ=             16.6640  XYY=             44.9609
  XXY=             29.0499  XXZ=            -53.9854  XZZ=             86.8137  YZZ=            -33.4549
  YYZ=              8.5121  XYZ=             11.9733
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=         -13749.5577 YYYY=          -7890.8970 ZZZZ=          -6064.0405 XXXY=            150.5368
 XXXZ=            -58.8812 YYYX=            107.6524 YYYZ=            150.2547 ZZZX=             62.1417
 ZZZY=           -106.2334 XXYY=          -3626.4020 XXZZ=          -3224.9807 YYZZ=          -2404.9620
 XXYZ=            -76.3884 YYXZ=             58.7050 ZZXY=            -20.0471
 N-N= 4.436831348405D+03 E-N=-1.300448021812D+04  KE= 1.744471271213D+03
 1\1\GINC-LONG-70A4001LUX\SP\RB3PW91\6-311++G(3df,3pd)\C24H43N8O5(1-)\L
 ONG\28-Jun-2020\0\\# b3pw91/6-311++g(3df,3pd) geom=connectivity\\5h8x\
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 72\N,0,-1.006829,-2.001244,-2.970207\C,0,-0.029467,-1.668554,-2.064629
 \N,0,-0.415828,-0.612177,-1.334444\C,-1,-5.230281,-0.898731,-0.146722\
 C,0,-5.867219,0.172435,0.765642\C,0,-5.23968,1.575533,0.577339\C,0,-3.
 757422,1.573892,0.942664\O,0,-3.362825,1.07658,2.049695\O,0,-2.909955,
 2.072415,0.03832\C,-1,-2.267388,-4.237826,2.983161\C,0,-0.994394,-3.84
 0552,3.759546\C,0,-0.192763,-2.764138,3.075825\C,0,-0.321159,-2.122473
 ,1.853426\N,0,0.931688,-2.168319,3.673058\C,0,1.430576,-1.208368,2.827
 193\N,0,0.69177,-1.158458,1.710377\C,-1,4.685979,-4.003301,-1.488201\C
 ,0,5.160803,-2.624947,-1.997493\C,0,4.192422,-1.525585,-1.652107\C,0,3
 .202803,-1.432622,-0.683826\N,0,4.13439,-0.301592,-2.33773\C,0,3.13526
 5,0.469318,-1.787738\N,0,2.554454,-0.19395,-0.782327\H,0,-4.985264,-2.
 515603,-4.16489\H,0,-4.353547,-2.760373,-2.523943\H,0,-3.454918,-3.370
 391,-3.930479\H,0,-3.997861,-0.378548,-3.324042\H,0,-3.088776,-0.97214
 4,-4.706657\H,0,-2.24861,0.56504,-1.360734\H,0,-0.966688,-2.766845,-3.
 630251\H,0,0.908249,-2.191398,-1.973915\H,0,-4.160131,-1.010489,0.0690
 86\H,0,-5.341301,-0.626459,-1.206095\H,0,-5.711178,-1.874956,0.002507\
 H,0,-6.945967,0.234649,0.563409\H,0,-5.745818,-0.121329,1.81552\H,0,-5
 .352802,1.925368,-0.455199\H,0,-5.753839,2.290563,1.235269\H,0,-2.9366
 ,-3.378492,2.858238\H,0,-2.813195,-5.016926,3.526705\H,0,-2.020838,-4.
 631973,1.989202\H,0,-1.282077,-3.492841,4.763131\H,0,-0.365544,-4.7319
 31,3.907066\H,0,-1.07473,-2.260315,1.096491\H,0,1.295512,-2.391806,4.5
 90795\H,0,2.265832,-0.562675,3.042068\H,0,4.579957,-4.009197,-0.396592
 \H,0,3.720203,-4.277514,-1.929444\H,0,5.413682,-4.778232,-1.753614\H,0
 ,5.296461,-2.667124,-3.088195\H,0,6.149984,-2.402328,-1.570906\H,0,2.9
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 05,2.327449,2.955342\H,0,4.942818,1.686474,1.34117\H,0,4.96965,3.44888
 ,1.62136\\Version=ES64L-G09RevD.01\State=1-A\HF=-1754.5313147\RMSD=1.7
 87e-09\Dipole=2.8886566,-0.9857383,-1.6821764\Quadrupole=-15.094087,10
 .3107593,4.7833276,8.1190114,6.6218452,-1.5045845\PG=C01 [X(C24H43N8O5
 )]\\@


 DEMOCRATS BUY MOST OF THE BOOKS THAT HAVE BEEN
 BANNED; REPUBLICANS FORM CENSORSHIP COMMITTEES AND
 READ THEM AS A GROUP.
 Job cpu time:       1 days 19 hours 55 minutes 57.4 seconds.
 File lengths (MBytes):  RWF=   2517 Int=      0 D2E=      0 Chk=    170 Scr=      1
 Normal termination of Gaussian 09 at Sun Jun 28 23:23:40 2020.
